ethyl 2-[[(4-nitrophenyl)carbamoyl-propyl-amino]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[[(4-nitrophenyl)carbamoyl-propyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(4-nitrophenyl)carbamoyl-propyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(4-nitroanilino)-oxomethyl]-propylamino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(4-nitrophenyl)carbamoyl-propylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(4-nitrophenyl)carbamoyl-propyl-amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C17H20N4O5S MolecularWeight: 392.4295

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=NC(=CS1)C(=O)OCC)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCN(CC1=NC(=CS1)C(=O)OCC)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O5S/c1-3-9-20(10-15-19-14(11-27-15)16(22)26-4-2)17(23)18-12-5-7-13(8-6-12)21(24)25/h5-8,11H,3-4,9-10H2,1-2H3,(H,18,23)